About event
Are you interested in bioinformatics tools that can make your work easier? Mark upcoming ELIXIR CZ Friday webinars on your calendar:
23.4. Metadynminer and Metadynreporter
30.4. SPCI: Structural and Physicochemical Interpretation of QSAR Models
ELIXIR CZ Friday Coffee 2021 - meet us online every Friday morning to explore the portfolio of ELIXIR CZ tools and services HERE. Registration is not needed.
For more information visit our website HERE.
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Vojtěch Spiwok from University of Chemistry and Technology will talk about Metadynminer and Metadynreporter.
Biomolecular simulations are computationally expensive calculations. For this reason most simulations nowadays span nanosecond or microsecond time scales. Many interesting processes, such as protein-ligand binding or protein-folding take place in much longer time scales. Metadynamics is one of most popular method developed to accelerate molecular simulations. We have developed an R package Metadynminer for analysis and visualization of the results of metadynamics in popular R statistical package. Furthermore, we provide a Metadynreporter web service via a Galaxy portal.
